4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol

C12H25NO — CID 104627994

IUPAC4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol
SMILESC=CCCCNC(CCO)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-6-7-9-13-11(8-10-14)12(2,3)4/h5,11,13-14H,1,6-10H2,2-4H3
InChIKeyIZRZXIJDJUHVIV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds7

About 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol

4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol (PubChem CID 104627994) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol
PubChem CID104627994
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol
SMILESC=CCCCNC(CCO)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-6-7-9-13-11(8-10-14)12(2,3)4/h5,11,13-14H,1,6-10H2,2-4H3
InChIKeyIZRZXIJDJUHVIV-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(But-3-enylamino)-3,3-dimethylbutan-1-ol
CID 57591314
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
2,2-Dimethyl-3-(pent-4-enylamino)propan-1-ol
CID 115359803
(3,3-Dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol
CID 123734166
(3R)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140710939
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
5-(2-Methylbutan-2-ylamino)hept-1-en-3-ol
CID 146505716
3-(Hex-5-enylamino)-2,2-dimethylpropan-1-ol
CID 150006195
6-Methyl-5-(propan-2-ylamino)hept-1-en-3-ol
CID 171659799
3-(Pentylamino)pent-4-en-1-ol
CID 173352499
3-((2-Methylhex-5-en-3-yl)amino)propan-1-ol
CID 2772048
3-Methyl-2-(2-methylhex-5-en-3-ylamino)butan-1-ol
CID 4711939

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol (CID 104627994) is 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol is C=CCCCNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol?
The InChIKey is IZRZXIJDJUHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-7-9-13-11(8-10-14)12(2,3)4/h5,11,13-14H,1,6-10H2,2-4H3.
What are the key properties of 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol?
4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(pent-4-enylamino)pentan-1-ol is sourced from PubChem (CID 104627994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).